Chemical Properties of Cetene (CAS 629-73-2)

InChI

InChI=1S/C16H32/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3H,1,4-16H2,2H3

InChI Key

GQEZCXVZFLOKMC-UHFFFAOYSA-N

Formula

C16H32

SMILES

C=CCCCCCCCCCCCCCC

Molecular Weight¹

224.43

CAS

629-73-2

Other Names

• 1-Cetene
• 1-hexadecene
• 1-n-Hexadecene
• Hexadec-1-ene
• Hexadecene-1
• Hexadecylene-1
• NSC 60602
• Neodene 16
• n-Hexadec-1-ene
• «alpha»-Hexadecene

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase heat capacity (J/mol×K).
• C_sat : Molar heat capacity at saturation pressure (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• S°_liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
• c_sound,fluid : Speed of sound in fluid (m/s).
• γ : Surface Tension (N/m).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• V_c : Critical Volume (m³/kmol).
• Z_c : Critical Compressibility.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.7210		KDB
ΔcH°liquid	[-10540.00; -10539.00]	kJ/mol
ΔcH°liquid	-10539.00 ± 2.00	kJ/mol	NIST
ΔcH°liquid	-10540.00 ± 2.00	kJ/mol	NIST
ΔcH°solid	-10546.00 ± 3.10	kJ/mol	NIST
ΔfG°	171.60	kJ/mol	KDB
ΔfH°gas	[-249.30; -247.20]	kJ/mol
ΔfH°gas	-248.00	kJ/mol	KDB
ΔfH°gas	-248.40 ± 2.50	kJ/mol	NIST
ΔfH°gas	-247.20 ± 2.60	kJ/mol	NIST
ΔfH°gas	-249.30	kJ/mol	NIST
ΔfH°liquid	[-330.50; -327.30]	kJ/mol
ΔfH°liquid	-330.50 ± 3.00	kJ/mol	NIST
ΔfH°liquid	-327.30 ± 2.50	kJ/mol	NIST
ΔfH°liquid	-329.40 ± 2.10	kJ/mol	NIST
ΔfusH°	35.92	kJ/mol	Joback Calculated Property
ΔvapH°	[80.10; 80.30]	kJ/mol
ΔvapH°	80.25	kJ/mol	NIST
ΔvapH°	80.25 ± 0.42	kJ/mol	NIST
ΔvapH°	80.30 ± 0.40	kJ/mol	NIST
ΔvapH°	80.30 ± 0.40	kJ/mol	NIST
ΔvapH°	80.10	kJ/mol	NIST
ΔvapH°	80.10 ± 0.20	kJ/mol	NIST
IE	9.50	eV	Relay (1.0) Calculated Property
log10WS	-7.22		Relay (1.0) Calculated Property
logPoct/wat	6.264		Crippen Calculated Property
McVol	232.000	ml/mol	McGowan Calculated Property
Pc	1330.00	kPa	KDB
Inp	[267.80; 1600.80]
Inp	1588.00		NIST
Inp	1590.00		NIST
Inp	1600.80		NIST
Inp	1586.00		NIST
Inp	1586.80		NIST
Inp	1588.10		NIST
Inp	1584.00		NIST
Inp	1584.00		NIST
Inp	1590.00		NIST
Inp	1593.00		NIST
Inp	1588.00		NIST
Inp	1579.00		NIST
Inp	1587.00		NIST
Inp	1590.00		NIST
Inp	1591.60		NIST
Inp	1591.90		NIST
Inp	1591.70		NIST
Inp	1591.60		NIST
Inp	1592.70		NIST
Inp	1592.00		NIST
Inp	1593.00		NIST
Inp	1587.00		NIST
Inp	1591.70		NIST
Inp	1591.60		NIST
Inp	1592.70		NIST
Inp	1591.60		NIST
Inp	1591.90		NIST
Inp	1590.00		NIST
Inp	1600.00		NIST
Inp	1592.00		NIST
Inp	1593.00		NIST
Inp	1590.00		NIST
Inp	1594.00		NIST
Inp	1590.00		NIST
Inp	1592.00		NIST
Inp	1593.20		NIST
Inp	1590.00		NIST
Inp	1590.00		NIST
Inp	1588.00		NIST
Inp	1590.00		NIST
Inp	1590.00		NIST
Inp	1595.00		NIST
Inp	1600.00		NIST
Inp	1588.00		NIST
Inp	1586.00		NIST
Inp	1593.00		NIST
Inp	1590.00		NIST
Inp	1589.00		NIST
Inp	1597.00		NIST
Inp	1593.00		NIST
Inp	1581.00		NIST
Inp	1590.00		NIST
Inp	1593.00		NIST
Inp	1590.00		NIST
Inp	1593.00		NIST
Inp	Outlier 267.80		NIST
Inp	Outlier 270.30		NIST
Inp	Outlier 267.80		NIST
Inp	1590.00		NIST
Inp	1588.00		NIST
Inp	1588.10		NIST
I	[1625.70; 1666.00]
I	1666.00		NIST
I	1655.00		NIST
I	1626.00		NIST
I	1625.70		NIST
I	1630.00		NIST
I	1645.00		NIST
I	1647.00		NIST
I	1649.00		NIST
I	1655.00		NIST
I	1644.00		NIST
I	1645.00		NIST
I	1654.00		NIST
I	1654.00		NIST
S°liquid	[587.90; 613.88]	J/mol×K
S°liquid	613.88	J/mol×K	NIST
S°liquid	587.90	J/mol×K	NIST
Tboil	[547.00; 558.00]	K
Tboil	558.00	K	KDB
Tboil	547.20	K	NIST
Tboil	547.00	K	NIST
Tboil	557.60	K	NIST
Tc	717.00	K	KDB
Tfus	[277.15; 291.00]	K
Tfus	277.30	K	KDB
Tfus	277.23 ± 0.04	K	NIST
Tfus	277.25 ± 0.03	K	NIST
Tfus	277.27 ± 0.02	K	NIST
Tfus	277.25 ± 0.04	K	NIST
Tfus	277.27 ± 0.02	K	NIST
Tfus	277.30 ± 2.00	K	NIST
Tfus	277.15 ± 2.00	K	NIST
Tfus	277.21 ± 0.30	K	NIST
Tfus	277.20 ± 1.00	K	NIST
Tfus	Outlier 291.00 ± 1.00	K	NIST
Ttriple	[277.30; 277.51]	K
Ttriple	277.39 ± 0.00	K	NIST
Ttriple	277.51 ± 0.05	K	NIST
Ttriple	277.30 ± 0.15	K	NIST
Ttriple	277.45 ± 0.05	K	NIST
Ttriple	277.39 ± 0.00	K	NIST
Ttriple	277.51 ± 0.05	K	NIST
Vc	0.912	m3/kmol	KDB
Zc	0.2035770		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[591.03; 692.62]	J/mol×K	[562.36; 723.38]
Cp,gas	591.03	J/mol×K	562.36	Joback Calculated Property
Cp,gas	609.76	J/mol×K	589.20	Joback Calculated Property
Cp,gas	627.75	J/mol×K	616.03	Joback Calculated Property
Cp,gas	645.00	J/mol×K	642.87	Joback Calculated Property
Cp,gas	661.55	J/mol×K	669.71	Joback Calculated Property
Cp,gas	677.41	J/mol×K	696.54	Joback Calculated Property
Cp,gas	692.62	J/mol×K	723.38	Joback Calculated Property
Cp,liquid	[485.83; 488.88]	J/mol×K	[298.15; 298.15]
Cp,liquid	485.83	J/mol×K	298.15	NIST
Cp,liquid	488.88	J/mol×K	298.15	NIST
Csat	[477.10; 549.10]	J/mol×K	[280.00; 380.00]
Csat	477.10	J/mol×K	280.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Csat	481.60	J/mol×K	290.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Csat	485.90	J/mol×K	298.15	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Csat	487.00	J/mol×K	300.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Csat	493.20	J/mol×K	310.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Csat	500.10	J/mol×K	320.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Csat	507.50	J/mol×K	330.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Csat	515.40	J/mol×K	340.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Csat	523.60	J/mol×K	350.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Csat	532.00	J/mol×K	360.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Csat	540.50	J/mol×K	370.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Csat	549.10	J/mol×K	380.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
η	[0.0001568; 0.0047648]	Pa×s	[268.32; 562.36]
η	0.0047648	Pa×s	268.32	Joback Calculated Property
η	0.0017384	Pa×s	317.33	Joback Calculated Property
η	0.0008306	Pa×s	366.33	Joback Calculated Property
η	0.0004724	Pa×s	415.34	Joback Calculated Property
η	0.0003027	Pa×s	464.35	Joback Calculated Property
η	0.0002112	Pa×s	513.35	Joback Calculated Property
η	0.0001568	Pa×s	562.36	Joback Calculated Property
ΔfusH	[3.87; 30.21]	kJ/mol	[249.20; 277.51]
ΔfusH	3.87	kJ/mol	249.20	NIST
ΔfusH	30.21	kJ/mol	277.50	NIST
ΔfusH	30.21	kJ/mol	277.50	NIST
ΔfusH	30.21	kJ/mol	277.50	NIST
ΔfusH	30.19	kJ/mol	277.51	NIST
ΔfusH	30.19	kJ/mol	277.51	NIST
ΔvapH	[50.42; 61.50]	kJ/mol	[509.50; 558.00]
ΔvapH	61.50	kJ/mol	509.50	NIST
ΔvapH	50.42	kJ/mol	558.00	KDB
ρl	788.00	kg/m3	283.00	KDB
ΔfusS	[15.53; 108.86]	J/mol×K	[249.20; 277.51]
ΔfusS	15.53	J/mol×K	249.20	NIST
ΔfusS	108.86	J/mol×K	277.50	NIST
ΔfusS	108.80	J/mol×K	277.51	NIST
ΔfusS	108.80	J/mol×K	277.51	NIST
γ	0.03	N/m	298.20	KDB

Datasets

Speed of sound, m/s

Fixed		Measured
Pressure, kPa - Liquid	Temperature, K - Liquid	Speed of sound, m/s - Liquid
100.00	303.15	1314.4
100.00	313.15	1278.1
100.00	323.15	1242.5
100.00	333.15	1207.6
100.00	343.15	1173.2
100.00	353.15	1139.5
100.00	363.15	1106.4
100.00	373.15	1073.8
100.00	383.15	1041.7
100.00	393.15	1010.2
100.00	403.15	979.2
100.00	413.15	948.7
100.00	423.15	918.8
100.00	433.15	889.2
2500.00	303.15	1327.9
2500.00	313.15	1292.1
2500.00	323.15	1257.1
2500.00	333.15	1222.7
2500.00	343.15	1188.9
2500.00	353.15	1155.8
2500.00	363.15	1123.3
2500.00	373.15	1091.4
2500.00	383.15	1060.1
2500.00	393.15	1029.3
2500.00	403.15	999.1
2500.00	413.15	969.4
2500.00	423.15	940.3
2500.00	433.15	911.7
5000.00	303.15	1341.7
5000.00	313.15	1306.4
5000.00	323.15	1271.9
5000.00	333.15	1238.0
5000.00	343.15	1204.9
5000.00	353.15	1172.3
5000.00	363.15	1140.5
5000.00	373.15	1109.2
5000.00	383.15	1078.6
5000.00	393.15	1048.5
5000.00	403.15	1019.0
5000.00	413.15	990.1
5000.00	423.15	961.8
5000.00	433.15	934.0
10000.00	303.15	1368.2
10000.00	313.15	1333.9
10000.00	323.15	1300.3
10000.00	333.15	1267.5
10000.00	343.15	1235.4
10000.00	353.15	1204.0
10000.00	363.15	1173.2
10000.00	373.15	1143.1
10000.00	383.15	1113.6
10000.00	393.15	1084.8
10000.00	403.15	1056.6
10000.00	413.15	1029.0
10000.00	423.15	1002.0
10000.00	433.15	975.7
15000.00	303.15	1393.7
15000.00	313.15	1360.2
15000.00	323.15	1327.5
15000.00	333.15	1295.6
15000.00	343.15	1264.4
15000.00	353.15	1233.9
15000.00	363.15	1204.1
15000.00	373.15	1175.0
15000.00	383.15	1146.5
15000.00	393.15	1118.8
15000.00	403.15	1091.6
15000.00	413.15	1065.2
15000.00	423.15	1039.3
15000.00	433.15	1014.1
20000.00	303.15	1418.2
20000.00	313.15	1385.5
20000.00	323.15	1353.6
20000.00	333.15	1322.4
20000.00	343.15	1292.1
20000.00	353.15	1262.4
20000.00	363.15	1233.5
20000.00	373.15	1205.2
20000.00	383.15	1177.7
20000.00	393.15	1150.8
20000.00	403.15	1124.6
20000.00	413.15	1099.0
20000.00	423.15	1074.1
20000.00	433.15	1049.8
30000.00	303.15	1464.6
30000.00	313.15	1433.2
30000.00	323.15	1402.7
30000.00	333.15	1372.9
30000.00	343.15	1343.9
30000.00	353.15	1315.7
30000.00	363.15	1288.2
30000.00	373.15	1261.4
30000.00	383.15	1235.3
30000.00	393.15	1209.9
30000.00	403.15	1185.2
30000.00	413.15	1161.2
30000.00	423.15	1137.8
30000.00	433.15	1115.0
40000.00	303.15	1508.0
40000.00	313.15	1477.8
40000.00	323.15	1448.4
40000.00	333.15	1419.8
40000.00	343.15	1392.0
40000.00	353.15	1364.9
40000.00	363.15	1338.6
40000.00	373.15	1313.0
40000.00	383.15	1288.1
40000.00	393.15	1263.8
40000.00	403.15	1240.3
40000.00	413.15	1217.4
40000.00	423.15	1195.2
40000.00	433.15	1173.6
60000.00	303.15	1587.7
60000.00	313.15	1559.3
60000.00	323.15	1531.8
60000.00	333.15	1505.1
60000.00	343.15	1479.1
60000.00	353.15	1453.9
60000.00	363.15	1429.4
60000.00	373.15	1405.5
60000.00	383.15	1382.4
60000.00	393.15	1360.0
60000.00	403.15	1338.2
60000.00	413.15	1317.0
60000.00	423.15	1296.5
60000.00	433.15	1276.6
80000.00	303.15	1659.7
80000.00	313.15	1632.8
80000.00	323.15	1606.8
80000.00	333.15	1581.5
80000.00	343.15	1556.9
80000.00	353.15	1533.1
80000.00	363.15	1510.0
80000.00	373.15	1487.6
80000.00	383.15	1465.8
80000.00	393.15	1444.6
80000.00	403.15	1424.1
80000.00	413.15	1404.2
80000.00	423.15	1384.9
80000.00	433.15	1366.2
100000.00	303.15	1725.7
100000.00	313.15	1700.0
100000.00	323.15	1675.2
100000.00	333.15	1651.1
100000.00	343.15	1627.7
100000.00	353.15	1605.0
100000.00	363.15	1583.0
100000.00	373.15	1561.6
100000.00	383.15	1540.9
100000.00	393.15	1520.8
100000.00	403.15	1501.3
100000.00	413.15	1482.4
100000.00	423.15	1464.0
100000.00	433.15	1446.2
Reference

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[418.16; 577.53]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.60292e+01
Coefficient B			-5.35198e+03
Coefficient C			-7.81760e+01
Temperature range, min.			418.16
Temperature range, max.			577.53
Pvap	1.33	kPa	418.16	Calculated Property
Pvap	2.91	kPa	435.87	Calculated Property
Pvap	5.89	kPa	453.58	Calculated Property
Pvap	11.19	kPa	471.28	Calculated Property
Pvap	20.12	kPa	488.99	Calculated Property
Pvap	34.46	kPa	506.70	Calculated Property
Pvap	56.57	kPa	524.41	Calculated Property
Pvap	89.41	kPa	542.11	Calculated Property
Pvap	136.64	kPa	559.82	Calculated Property
Pvap	202.63	kPa	577.53	Calculated Property
Pvap	[3.67e-05; 1440.75]	kPa	[277.51; 722.00]	KDB Vapor Pressure Data
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			9.53711e+01
Coefficient B			-1.21084e+04
Coefficient C			-1.10487e+01
Coefficient D			2.67612e-06
Temperature range, min.			277.51
Temperature range, max.			722.00
Pvap	3.67e-05	kPa	277.51	Calculated Property
Pvap	4.74e-03	kPa	326.90	Calculated Property
Pvap	0.14	kPa	376.29	Calculated Property
Pvap	1.69	kPa	425.67	Calculated Property
Pvap	10.90	kPa	475.06	Calculated Property
Pvap	46.00	kPa	524.45	Calculated Property
Pvap	143.54	kPa	573.84	Calculated Property
Pvap	359.53	kPa	623.22	Calculated Property
Pvap	765.13	kPa	672.61	Calculated Property
Pvap	1440.75	kPa	722.00	Calculated Property

Similar Compounds

Find more compounds similar to Cetene.

Mixtures

• Cetene + LACTIC ACID, ETHYL ESTER

Sources

• KDB Vapor Pressure Data
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• The thermodynamic properties of 1-alkenes in the liquid state: 1-Hexadecene
• Liquid-liquid equilibria of mixtures with ethyl lactate and various hydrocarbons
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure
• Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD

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